| SpectraBase Compound ID | LnzE8iuNbup |
|---|---|
| InChI | InChI=1S/C9H9IO2/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | MSOVVWDVQWOJAD-UHFFFAOYSA-N |
| Mol Weight | 276.07 g/mol |
| Molecular Formula | C9H9IO2 |
| Exact Mass | 275.964725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jn86QvvUPS2 |
|---|---|
| Name | 2-Iodobenzyl alcohol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.964724528 u |
| Formula | C9H9IO2 |
| InChI | InChI=1S/C9H9IO2/c1-7(11)12-6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 |
| InChIKey | MSOVVWDVQWOJAD-UHFFFAOYSA-N |
| Molecular Weight | 276.073 g/mol |
| SMILES | C1(=C(C=CC=C1)I)COC(C)=O |